SCHEMBL4866101

SCHEMBL4866101

O=C(NC(=O)C(F)(F)F)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.54
ALDH1A1 P00352 2/20 0.52
RAB9A P51151 5/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 4/20 0.50
HSD17B10 Q99714 2/20 0.50
HDAC3 O15379 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
IDO1 P14902 1/20 0.50
ALOX15 P16050 1/20 0.50
HDAC1 Q13547 1/20 0.50
CA9 Q16790 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
EPHX1 P07099 2/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25142228 0.82 CES2 (0.57) CES1RAB9ANPC1CRHBPCRHR2
SCHEMBL25142224 0.82 PLOD2 (0.52) CES1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL4924649 0.82 RAB9A (0.57) CES1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL76489 0.79 ALDH1A1 (0.67) CES1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL22472043 0.79 ALDH1A1 (0.52) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL10265496 0.79 LMNA (0.59) ALDH1A1RAB9AMEN1KMT2ANPC1
Trifluoroacetic Acid SCHEMBL1786802 0.78 CES1 (0.52) CES1ALDH1A1RAB9ANPC1HSD17B10
Hydrochloric Acid SCHEMBL27693713 0.77 ALDH1A1 (0.64) CES1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL2746306 0.76 EPHX1 (0.54) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL9775662 0.76 CES1 (0.46) CES1ALDH1A1RAB9AMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888319-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES Astra Aktiebolag (SE) 1999-01-07 EP claimed
WO-1997034883-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1997-09-25 WO claimed
US-20240027902-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-01-25 US disclosed
US-11711934-B2 Metal amides for use as HIL for an organic light-emitting diode (OLED) NOVALED GMBH (DE) 2023-07-25 US disclosed
US-20230161252-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed
US-20230152692-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 US disclosed
US-20230131303-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-04-27 US disclosed
US-20230129578-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-04-27 US disclosed
US-20230120132-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-04-20 US disclosed
EP-4084108-A1 METAL AMIDES FOR USE AS HIL FOR AN ORGANIC LIGHT-EMITTING DIODE (OLED) Novaled GmbH (DE) 2022-11-02 EP disclosed
EP-3338313-B1 METAL AMIDES FOR USE AS HOLE INJECTION LAYER FOR AN ORGANIC LIGHT-EMITTING DIODE (OLED) NOVALED GMBH (DE) 2022-01-05 EP disclosed
EP-3338314-B1 TRIARYL AMINE THICK LAYER DOPED WITH METAL AMIDES FOR USE AS HOLE INJECTION LAYER FOR AN ORGANIC LIGHT-EMITTING DIODE (OLED) NOVALED GMBH (DE) 2020-02-12 EP disclosed
EP-3133663-A1 METAL AMIDES FOR USE AS HOLE INJECTION LAYER FOR AN ORGANIC LIGHT-EMITTING DIODE (OLED) Novaled GmbH (DE) 2017-02-22 EP disclosed
EP-3133664-A1 TRIARYL AMINE THICK LAYER DOPED WITH METAL AMIDES FOR USE AS HOLE INJECTION LAYER FOR AN ORGANIC LIGHT-EMITTING DIODE (OLED) Novaled GmbH (DE) 2017-02-22 EP disclosed
US-7319101-B2 COMT inhibitors for the treatment of depression and impaired cognition HOFFMANN-LA ROCHE INC. (US) 2008-01-15 US disclosed
US-20050137162-A1 New COMT inhibitors for the treatment of depression and impaired cognition F. HOFFMANN-LA ROCHE AG (CH) 2005-06-23 US disclosed
EP-0888319-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES Astra Aktiebolag (SE) 1999-01-07 EP disclosed
WO-1997034883-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1997-09-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050137162-A1 New COMT inhibitors for the treatment of depression and impaired cognition COMT, MAOB, TPH1 CES1 18/4885ALDH1A1 46/4885RAB9A 487/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.